N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(2,5-diethoxy-4-morpholino-phenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C21H26N6O4S/c1-3-30-16-10-15(27-5-7-29-8-6-27)17(31-4-2)9-14(16)26-18(28)11-32-21-19-20(23-12-22-19)24-13-25-21/h9-10,12-13H,3-8,11H2,1-2H3,(H,26,28)(H,22,23,24,25)